3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide

C19H17N5O — CID 118959844

IUPAC3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(C(N)=O)cc34)cc2)cn1
InChIInChI=1S/C19H17N5O/c1-24-11-15(10-21-24)13-4-2-12(3-5-13)8-18-16-9-14(19(20)25)6-7-17(16)22-23-18/h2-7,9-11H,8H2,1H3,(H2,20,25)(H,22,23)
InChIKeyLCUMHIHAYAXPDL-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.65
Rot. Bonds4

About 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide

3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide (PubChem CID 118959844) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide
PubChem CID118959844
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(C(N)=O)cc34)cc2)cn1
InChIInChI=1S/C19H17N5O/c1-24-11-15(10-21-24)13-4-2-12(3-5-13)8-18-16-9-14(19(20)25)6-7-17(16)22-23-18/h2-7,9-11H,8H2,1H3,(H2,20,25)(H,22,23)
InChIKeyLCUMHIHAYAXPDL-UHFFFAOYSA-N
XLogP2.65
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide?
The IUPAC name of 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide (CID 118959844) is 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide?
The canonical SMILES for 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide is Cn1cc(-c2ccc(Cc3[nH]nc4ccc(C(N)=O)cc34)cc2)cn1.
What is the InChIKey of 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide?
The InChIKey is LCUMHIHAYAXPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-24-11-15(10-21-24)13-4-2-12(3-5-13)8-18-16-9-14(19(20)25)6-7-17(16)22-23-18/h2-7,9-11H,8H2,1H3,(H2,20,25)(H,22,23).
What are the key properties of 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide?
3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 118959844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).